SCHEMBL25178677

SCHEMBL25178677

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CC1CC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRM3 P20309 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ GPR3 P46089 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30510378 1.00 CYP1A2 (0.35) CYP1A2TSHRSLC6A4SLC6A3CYP2D6
SCHEMBL30510422 0.95 NPY5R (0.39) NPY5R
SCHEMBL25179536 0.95 NPY5R (0.39) NPY5R
SCHEMBL25173094 0.95 NPY5R (0.36) CYP1A2TSHRSLC6A4SLC6A3CYP2D6
SCHEMBL30510390 0.95 NPY5R (0.36) CYP1A2TSHRSLC6A4SLC6A3CYP2D6
SCHEMBL5409646 0.94 NPY5R (0.40) NPY5R
SCHEMBL30510220 0.94 NPY5R (0.40) NPY5R
SCHEMBL7718775 0.86 CHRNB2 (0.42) SLC6A4SLC6A3CYP2D6SLC6A2CHRM3
SCHEMBL25177898 0.85 CYP1A2 (0.37) CYP1A2TSHRMAPTKMT2AGPR3
SCHEMBL8893033 0.85 CYP1A2 (0.37) CYP1A2TSHRMAPTKMT2AGPR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CYP1A2 4845/4885TSHR 3295/4885SLC6A4 4490/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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